SCHEMBL7869710

SCHEMBL7869710

O=[N+]([O-])c1ccc(-c2nc(I)cc(N3CC4CC[C@@H](C3)O4)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
MTOR P42345 4/20 0.41
HRH4 Q9H3N8 1/20 0.37
PIK3CA P42336 3/20 0.36
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MCL1 Q07820 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MAP3K12 Q12852 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL627866 0.92 MEN1 (0.54) KMT2AMEN1MTORHRH4PIK3CA
SCHEMBL3715528 0.88 KMT2A (0.51) KMT2AMEN1MTORHRH4PIK3CA
SCHEMBL628013 0.86 MEN1 (0.49) KMT2AMEN1MTORHRH4PIK3CA
SCHEMBL628391 0.81 KMT2A (0.47) KMT2AMEN1MTORHRH4PIK3CA
SCHEMBL629664 0.78 MAP3K12 (0.47) KMT2AMEN1MTORHRH4PIK3CA
SCHEMBL629777 0.77 HRH4 (0.47) KMT2AMEN1HRH4PIK3CAMAPT
SCHEMBL628146 0.72 MTOR (0.57) KMT2AMEN1MTORPIK3CAMAPT
SCHEMBL7878247 0.72 MTOR (0.45) MTORPIK3CAMAP3K12
SCHEMBL16727859 0.72 MEN1 (0.41) KMT2AMEN1MTORPIK3CAMAPT
SCHEMBL15399523 0.72 MAPT (0.54) KMT2AMEN1MAPTALDH1A1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010120998-A1 PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2010-10-21 WO disclosed